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dimethyl-(2'S,2R)-(+)-4-[2-(methoxymethyl)pyrrolidinoimino]-2,4-diphenyl-1,1-butanedicarboxylate
SpectraBase Compound ID JJJ6FJvz2li
InChI InChI=1S/C26H32N2O5/c1-31-18-21-15-10-16-28(21)27-23(20-13-8-5-9-14-20)17-22(19-11-6-4-7-12-19)24(25(29)32-2)26(30)33-3/h4-9,11-14,21-22,24H,10,15-18H2,1-3H3/b27-23-/t21-,22-/m0/s1
InChIKey XFFQLYRWGBEIFE-MWQJQQHTSA-N
Mol Weight 452.6 g/mol
Molecular Formula C26H32N2O5
Exact Mass 452.231122 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EXNh8cYbC6k
Name dimethyl-(2'S,2R)-(+)-4-[2-(methoxymethyl)pyrrolidinoimino]-2,4-diphenyl-1,1-butanedicarboxylate
CAS Registry Number 109012-78-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H32N2O5
InChI InChI=1S/C26H32N2O5/c1-31-18-21-15-10-16-28(21)27-23(20-13-8-5-9-14-20)17-22(19-11-6-4-7-12-19)24(25(29)32-2)26(30)33-3/h4-9,11-14,21-22,24H,10,15-18H2,1-3H3/b27-23-/t21-,22-/m0/s1
InChIKey XFFQLYRWGBEIFE-MWQJQQHTSA-N
Molecular Weight 452.551 g/mol
SMILES C([C@@](C\C(=N\N1[C@](COC)(CCC1)[H])c1ccccc1)(c1ccccc1)[H])(C(=O)OC)C(=O)OC
SPLASH splash10-0a4i-0000900000-61346bfc444483f8ed30
Source of Spectrum K-120-1733-0
Synonyms dimethyl 2-((1R,3Z)-3-{[(2S)-2-(methoxymethyl)pyrrolidinyl]imino}-1,3-diphenylpropyl)malonate
Wiley ID 1388297